(6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal

C30H42O3Si — CID 10648349

IUPAC(6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal
SMILESC=C[C@@H](CC(=O)CC(C)(C)C=O)[C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H42O3Si/c1-8-25(21-26(32)22-30(6,7)23-31)24(2)19-20-33-34(29(3,4)5,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h8-18,23-25H,1,19-22H2,2-7H3/t24-,25+/m1/s1
InChIKeyYWVGXJUVGIRJLS-RPBOFIJWSA-N
MW478.75 g/mol
LogP5.97
Rot. Bonds13

About (6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal

(6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal (PubChem CID 10648349) has the molecular formula C30H42O3Si and a molecular weight of 478.75 g/mol. Its IUPAC name is (6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal.

Molecular Properties

Compound Name(6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal
PubChem CID10648349
Molecular FormulaC30H42O3Si
Molecular Weight478.75 g/mol
Exact Mass478.29
IUPAC Name(6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal
SMILESC=C[C@@H](CC(=O)CC(C)(C)C=O)[C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H42O3Si/c1-8-25(21-26(32)22-30(6,7)23-31)24(2)19-20-33-34(29(3,4)5,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h8-18,23-25H,1,19-22H2,2-7H3/t24-,25+/m1/s1
InChIKeyYWVGXJUVGIRJLS-RPBOFIJWSA-N
XLogP5.97
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.75
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal with MolForge

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Launch Full Analysis

Related Compounds

2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
(3S,4S,5R,6R)-1-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyloct-7-ene-3,5-diol
CID 10788581
(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N,N-diethylpent-4-enamide
CID 11273241
(2S,3S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-ethenyl-4-methylpentane-1,3-diol
CID 101039116
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate
CID 145359387
(2R,3R,4R,5S,6R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethyloct-7-ene-3,5-diol
CID 10622991
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane;(5S)-8-[tert-butyl(diphenyl)silyl]oxy-5-methyl-3-methylideneoctan-2-one;ethene
CID 160977015
[(3R)-1-[tert-butyl(diphenyl)silyl]oxy-4,4-difluorohex-5-en-3-yl] carbamate
CID 172719132
(4S,5E,7S)-9-[tert-butyl(diphenyl)silyl]oxy-5,7-dimethylnona-1,5-dien-4-ol
CID 71551406
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268

Frequently Asked Questions

What is the IUPAC name of (6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal?
The IUPAC name of (6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal (CID 10648349) is (6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal.
What is the SMILES notation for (6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal?
The canonical SMILES for (6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal is C=C[C@@H](CC(=O)CC(C)(C)C=O)[C@H](C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal?
The InChIKey is YWVGXJUVGIRJLS-RPBOFIJWSA-N. The full InChI is InChI=1S/C30H42O3Si/c1-8-25(21-26(32)22-30(6,7)23-31)24(2)19-20-33-34(29(3,4)5,27-15-11-9-12-16-27)28-17-13-10-14-18-28/h8-18,23-25H,1,19-22H2,2-7H3/t24-,25+/m1/s1.
What are the key properties of (6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal?
(6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal has a molecular weight of 478.75 g/mol, XLogP of 5.97, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-9-[tert-butyl(diphenyl)silyl]oxy-6-ethenyl-2,2,7-trimethyl-4-oxononanal is sourced from PubChem (CID 10648349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).